N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O2 — CID 137018337

IUPACN-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCC1
InChIInChI=1S/C17H23N5O2/c1-17(5-2-6-17)21-16(24)12-10-19-22-13(9-14(23)20-15(12)22)11-3-7-18-8-4-11/h9-11,18H,2-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyIFAQZJGHXHJABB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.16
Rot. Bonds3

About N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018337) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018337
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCC1
InChIInChI=1S/C17H23N5O2/c1-17(5-2-6-17)21-16(24)12-10-19-22-13(9-14(23)20-15(12)22)11-3-7-18-8-4-11/h9-11,18H,2-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyIFAQZJGHXHJABB-UHFFFAOYSA-N
XLogP1.16
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018337) is N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(NC(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IFAQZJGHXHJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(5-2-6-17)21-16(24)12-10-19-22-13(9-14(23)20-15(12)22)11-3-7-18-8-4-11/h9-11,18H,2-8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).